2-[2,5-bis(fluoranyl)phenyl]sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)ethanamide

Systemtic Name: 2-[2,5-bis(fluoranyl)phenyl]sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)ethanamide Openeye Name: 2-(2,5-difluorophenyl)sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)acetamide CAS Name: 2-[(2,5-difluorophenyl)thio]-N-(4-methyl-1-piperazin-4-iumyl)acetamide IUPAC Name: 2-(2,5-difluorophenyl)sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)acetamide Traditional Name: 2-[(2,5-difluorophenyl)thio]-N-(4-methylpiperazin-4-ium-1-yl)acetamide Formula: C13H18F2N3OS+ MolecularWeight: 302.363326

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)CSC2=C(C=CC(=C2)F)F

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)CSC2=C(C=CC(=C2)F)F

InChI

InChI=1S/C13H17F2N3OS/c1-17-4-6-18(7-5-17)16-13(19)9-20-12-8-10(14)2-3-11(12)15/h2-3,8H,4-7,9H2,1H3,(H,16,19)/p+1